SCHEMBL8211522

SCHEMBL8211522

CC(C)(c1cc(N)nc(-c2ccc(NC(N)=O)cc2)n1)S(=O)(=O)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.44
MTOR P42345 2/20 0.39
ABCC9 O60706 2/20 0.38
ABCC8 Q09428 2/20 0.38
KCNJ11 Q14654 2/20 0.38
KCNJ8 Q15842 2/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTGS2 P35354 1/20 0.36
PIK3CA P42336 4/20 0.35
PIK3CD O00329 4/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
PIK3CG P48736 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8214334 0.88 KIF11 (0.49) KIF11MTORABCC9ABCC8KCNJ11
SCHEMBL11925811 0.86 KIF11 (0.44) KIF11MTORKDM4EMEN1ALDH1A1
SCHEMBL8217031 0.85 KIF11 (0.44) KIF11MTORKDM4EMEN1ALDH1A1
SCHEMBL8206578 0.85 PIK3CD (0.46) KIF11KDM4EMEN1ALDH1A1MAPT
SCHEMBL8217050 0.85 NAMPT (0.42) MTORPIK3CAPIK3CD
SCHEMBL8217047 0.84 EPHX1 (0.46) MEN1KMT2A
SCHEMBL8217184 0.84 KIF11 (0.42) KIF11KDM4EMEN1ALDH1A1MAPT
SCHEMBL8213981 0.84 KIF11 (0.42) KIF11MTORKDM4EMEN1ALDH1A1
SCHEMBL8215180 0.83 NAMPT (0.46) MTORPIK3CAPIK3CDPIK3CGHTT
SCHEMBL11926888 0.81 KIF11 (0.43) KIF11PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed